Details of the Drug

General Information of Drug (ID: DM9GXFJ)

• Drug Name: Alpha-Aminoisobutyric Acid
• Synonyms: 2-Aminoisobutyric acid; 62-57-7; 2-Methylalanine; 2-Amino-2-methylpropanoic acid; H-Aib-OH; Alanine, 2-methyl-; ALPHA-AMINOISOBUTYRIC ACID; 2-Amino-2-methylpropionic acid; alpha-Methylalanine; alpha-Aminoisobutanoic acid; a-Aminoisobutyric acid; 2-amino isobutyric acid; NSC 16590; alpha,alpha-Dimethylglycine; AIB; Propionic acid, 2-amino-2-methyl-; 2-amino-isobutyric acid; 2-amino-2-methyl-propanoic acid; UNII-1E7ZW41IQU; a-Aminoisobutyrate; 2-Amino-2-methylpropanoate; .alpha.-Aminoisobutanoic acid; 2,2-dimethylglycine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 103.12
  Logarithm of the Partition Coefficient (xlogp); -2.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C4H9NO2
  IUPAC Name: 2-amino-2-methylpropanoic acid
  Canonical SMILES: CC(C)(C(=O)O)N
  InChI: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
  InChIKey: FUOOLUPWFVMBKG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6119
  ChEBI ID: CHEBI:27971
  CAS Number: 62-57-7
  DrugBank ID: DB02952
  TTD ID: D08JUG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Corticoliberin (CRH)	TTA7YIZ	CRF_HUMAN	Inhibitor	[1]
Neuropeptide Y (NPY)	TT64REZ	NPY_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.